General Information of the Compound
| Compound ID |
CP0461315
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| Compound Name |
Biphenyl-2-carboxylic acid [4-(8-pyridin-3-ylmethyl-5,6,7,8-tetrahydro-1-thia-4,8-diaza-azulene-4-carbonyl)-phenyl]-amide
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| Structure |
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| Formula |
C33H28N4O2S
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| Molecular Weight |
544.68
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| Canonical SMILES |
O=C(Nc1ccc(cc1)C(=O)N1CCCN(Cc2cccnc2)c2sccc12)c1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C33H28N4O2S/c38-31(29-12-5-4-11-28(29)25-9-2-1-3-10-25)35-27-15-13-26(14-16-27)32(39)37-20-7-19-36(33-30(37)17-21-40-33)23-24-8-6-18-34-22-24/h1-6,8-18,21-22H,7,19-20,23H2,(H,35,38)
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| InChIKey |
ZEHNRQNEVWJTIS-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound